N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-3048 |
| Compound Name: | N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-(3-methylbutyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C30 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(CC(N1CCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0881 |
| logD: | 3.9763 |
| logSw: | -4.24 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.675 |
| InChI Key: | CQUSPANLGSIDFS-UHFFFAOYSA-N |